Butanoic acid, 3-methyl-, 2-methyl-5-oxo-1-cyclopenten-1-yl ester

CAS Registry Number®

68084-07-1

CAS Name

Butanoic acid, 3-methyl-, 2-methyl-5-oxo-1-cyclopenten-1-yl ester

Molecular Formula

C11H16O3

Molecular Mass

196.24

Cite this Page

Butanoic acid, 3-methyl-, 2-methyl-5-oxo-1-cyclopenten-1-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68084-07-1 (retrieved 2024-11-24) (CAS RN: 68084-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    94-97 °C @ Press: 0.4 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H16O3/c1-7(2)6-10(13)14-11-8(3)4-5-9(11)12/h7H,4-6H2,1-3H3

InChIKey

InChIKey=BMRCKURWGZUABP-UHFFFAOYSA-N

SMILES

O(C(CC(C)C)=O)C1=C(C)CCC1=O

Canonical SMILES

O=C(OC=1C(=O)CCC1C)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 2-methyl-5-oxo-1-cyclopenten-1-yl ester
  • Isovaleric acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester
  • 2-Methyl-5-oxocyclopent-1-en-1-yl 3-methylbutanoate

CAS INSIGHTSTM
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